SCHEMBL13454476

SCHEMBL13454476

Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ GAA P10253 1/20 0.63
▸ HPGD P15428 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ MAPT P10636 5/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ THRB P10828 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ GPR55 Q9Y2T6 1/20 0.50
▸ RAB9A P51151 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13454477 0.93 ALDH1A1 (0.74) ALDH1A1KMT2AGAAHPGDL3MBTL1
SCHEMBL13454464 0.91 CA1 (0.66) ALDH1A1KMT2AGAAHPGDL3MBTL1
SCHEMBL13454600 0.88 ALDH1A1 (0.58) ALDH1A1KMT2AGAAHPGDL3MBTL1
SCHEMBL13454702 0.87 ALDH1A1 (0.61) ALDH1A1KMT2AGAAHPGDL3MBTL1
SCHEMBL13454585 0.86 GPR55 (0.67) ALDH1A1KMT2AGAAHPGDL3MBTL1
SCHEMBL13454703 0.85 KMT2A (0.56) ALDH1A1KMT2AGAAHPGDL3MBTL1
SCHEMBL13453698 0.85 KMT2A (0.63) ALDH1A1KMT2AGAAHPGDL3MBTL1
SCHEMBL13453905 0.84 ALDH1A1 (0.55) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL13454473 0.84 ALDH1A1 (0.68) ALDH1A1KMT2AGAAHPGDMAPT
SCHEMBL13454468 0.84 KMT2A (0.82) ALDH1A1KMT2AGAAHPGDL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126938-B2 Phosphatidylcholine transfer protein inhibitors THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-09-08 — — US disclosed
US-9126938-B2 Phosphatidylcholine transfer protein inhibitors THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-09-08 — — US disclosed
US-20120264756-A1 Phosphatidylcholine Transfer Protein Inhibitors THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-10-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120264756-A1 Phosphatidylcholine Transfer Protein Inhibitors PCTP, LCAT, CETP ALDH1A1 4289/4885KMT2A 1676/4885GAA 2398/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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